On Apr 8, 2010, at 19:23 , S. K. S. wrote: > what, in fact, QE starts with as an initial density n(r) at the > 0th iteration, > i.e. what is n_0(r) ????
the answer is printed at the beginning of the scf calculation:
Initial potential from superposition of free atoms
P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
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